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N-(Boc-PEG1)-N-bis(PEG2-propargyl) | CAS 2100306-63-4
| Catalog Number | R01-0082 |
| Category | Alkynes |
| Molecular Formula | C₂₃H₄₀N₂O₇ |
| Molecular Weight | 456.57 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
N-(Boc-PEG1)-N-bis(PEG2-propargyl) is a polyethylene glycol (PEG)-based PROTAC linker. N-(Boc-PEG1)-N-bis(PEG2-propargyl) can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
| Synonyms | tert-butyl (6-(2-(2-(prop-2-yn-1-yloxy)ethoxy)ethyl)-3,9,12-trioxa-6-azapentadec-14-yn-1-yl)carbamate; tert-butyl N-(6-{2-[2-(prop-2-yn-1-yloxy)ethoxy]ethyl}-3,9,12-trioxa-6-azapentadec-14-yn-1-yl)carbamate |
| Purity | 98% |
| IUPAC Name | tert-butyl N-[2-[2-[bis[2-(2-prop-2-ynoxyethoxy)ethyl]amino]ethoxy]ethyl]carbamate |
| Canonical SMILES | CC(C)(C)OC(=O)NCCOCCN(CCOCCOCC#C)CCOCCOCC#C |
| InChI | InChI=1S/C23H40N2O7/c1-6-12-27-18-20-30-16-10-25(11-17-31-21-19-28-13-7-2)9-15-29-14-8-24-22(26)32-23(3,4)5/h1-2H,8-21H2,3-5H3,(H,24,26) |
| InChIKey | MGRYPZQWMHNWAP-UHFFFAOYSA-N |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| XLogP3 | 0.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 22 |
| Exact Mass | 456.28355162 g/mol |
| Monoisotopic Mass | 456.28355162 g/mol |
| Topological Polar Surface Area | 87.7Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 530 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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